959996-48-6

Basic information

• Product Name: 2-Bromo-5-fluorobenzeneboronic acid
• Synonyms: 2-Bromo-5-fluorobenzeneboronic acid;2-Bromo-5-fluorophenylboronic com
• CAS NO: 959996-48-6
• Molecular Formula: C₆H₅BBrFO₂
• Molecular Weight: 218.8161032
• Mol File: 959996-48-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 326.9°C at 760 mmHg
• Flash Point: 151.5°C
• Appearance: /
• Density: 1.75g/cm³
• Vapor Pressure: 8.52E-05mmHg at 25°C
• Refractive Index: 1.571
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 2-Bromo-5-fluorobenzeneboronic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Bromo-5-fluorobenzeneboronic acid(959996-48-6)
• EPA Substance Registry System: 2-Bromo-5-fluorobenzeneboronic acid(959996-48-6)

Safety Data

• Statements: 36
• Safety Statements: 26
• HazardClass: IRRITANT
• Hazardous Substances Data: 959996-48-6(Hazardous Substances Data)

Usage

General Description

2-Bromo-5-fluorobenzeneboronic acid is a compound that belongs to the class of boronic acids, which are widely used in organic synthesis and medicinal chemistry. It consists of a benzene ring with bromine and fluorine substituents attached to it, as well as a boronic acid functional group. 2-Bromo-5-fluorobenzeneboronic acid is commonly employed as a reagent in organic reactions, particularly in the formation of carbon-carbon and carbon-heteroatom bonds. Its unique structure and chemical properties make it a valuable tool for the synthesis of pharmaceuticals, agrochemicals, and other bioactive molecules. Additionally, 2-Bromo-5-fluorobenzeneboronic acid has implications in the field of materials science and can be used as a building block for the preparation of novel materials with specific properties.

InChI:InChI=1/C6H5BBrFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H

Upstream product

• 202865-72-3 1-bromo-4-fluoro-2-iodobenzene 

Downstream Products

• 959996-47-5 3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbaldehyde 
• 959996-52-2 (R)-(3-(2-bromo-5-fluorophenyl)-1-((2-(trimethylsilyl)ethoxy)-methyl)-1H-pyrazol-4-yl)(cyclopropyl)methanamine 
• 959997-63-8 (S)-4-cyclopropyl-8-fluoro-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-2H-pyrazolo[4,3-c]quinoline 
• 1190854-16-0 (R)-4-cyclopropyl-8-fluoro-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-2H-pyrazolo[4,3-c]quinoline 
• 959996-53-3 (R)-N-((3-(2-bromo-5-fluorophenyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)(cyclopropyl)methyl)-6-(trifluoromethyl)pyridine-3-sulfonamide 
• 343-40-8 3-fluoro-9H-fluorene 

Relevant articles and documents

Discovery of (R)-4-Cyclopropyl-7,8-difluoro-5-(4-(trifluoromethyl) phenylsulfonyl)-4,5-dihydro-1 H -pyrazolo[4,3- c ]quinoline (ELND006) and (R)-4-Cyclopropyl-8-fluoro-5-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-4, 5-dihydro-2 H -pyrazolo[4,3- c ]quinoline (ELND007): Metabolically stable γ-Secretase Inhibitors that selectively inhibit the production of amyloid-β over notch

Herein, we describe our strategy to design metabolically stable γ-secretase inhibitors which are selective for inhibition of Aβ generation over Notch. We highlight our synthetic strategy to incorporate diversity and chirality. Compounds 30 (ELND006) and 34 (ELND007) both entered human clinical trials. The in vitro and in vivo characteristics for these two compounds are described. A comparison of inhibition of Aβ generation in vivo between 30, 34, Semagacestat 41, Begacestat 42, and Avagacestat 43 in mice is made. 30 lowered Aβ in the CSF of healthy human volunteers.